Sinnerite CuAsS has been identified as a promising material for optoelectronic applications, with potential for other energy-related applications; however, knowledge of the electrical and thermal properties as well as the mechanisms underlying transport in sinnerite is lacking. We present an investigation of the synthesis, structural, thermal and electrical transport properties of stoichiometric and Sn-doped CuAsS. Sinnerite has a triclinic lattice structure, with highly distorted local atomic coordination environments that, in part, results in its complex structure and bonding. Our results and analyses indicate As 4 lone pair-induced distortions and strong lattice anharmonicity that leads to a relatively short phonon mean free path, resulting in intrinsically very low thermal conductivity. The electrical resistivity for both compositions, CuAsSnS (x = 0, 0.2), are relatively high and varies little with temperature, typical of degenerate semiconductors. An increase in mobility and electrical conductivity was obtained by Sn doping in CuAsSnS. This work demonstrates an effective route to synthesize bulk sinnerite as well as advances the knowledge of the properties of sinnerite, as this and other ternary chalcogenides continue to be of interest for potential technologically significant applications.

中文翻译：

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Sn掺杂对紫磷矿Cu6As4S9热电性能的协同作用

紫磷矿 CuAsS 已被认为是一种有前途的光电应用材料，并具有其他能源相关应用的潜力；然而，人们对紫磷矿的电学和热学性质以及传输机制的了解还很缺乏。我们对化学计量和 Sn 掺杂的 CuAsS 的合成、结构、热和电传输特性进行了研究。紫锂矿具有三斜晶格结构，具有高度扭曲的局部原子配位环境，这在一定程度上导致了其复杂的结构和键合。我们的结果和分析表明，As 4 孤对电子引起的畸变和强晶格非谐性会导致相对较短的声子平均自由程，从而导致本质上非常低的热导率。两种成分 CuAsSnS (x = 0, 0.2) 的电阻率相对较高，并且随温度变化很小，这是简并半导体的典型特征。通过在 CuAsSnS 中掺杂 Sn 可以提高迁移率和电导率。这项工作展示了合成块状紫锂矿的有效途径，并增进了对紫锂矿性质的了解，因为这种和其他三元硫属化物仍然对潜在的技术重要应用感兴趣。